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SCM-NV / pyZacros

Python Library for Automating Zacros Simulations
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Add the class State #43

Closed nfaguirrec closed 3 years ago

nfaguirrec commented 4 years ago

This class should be similar to InitialState. Actually I think that the class State should be the parent class of InitialState. This class should contain information about the filled binding sites, and additional meta information from the KMC simulation. In other words, a KMC simulation can be seen as a list of States.

>>> results = myKMCJob.run( myMechanism, myLattice, initialState=myInitialState )
>>> print(results.states)
nfaguirrec commented 3 years ago

Done! See develop branch